3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole

C15H10ClF3N2 — CID 1483806

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3
InChIKeyDFUZKSKLYCWMQD-UHFFFAOYSA-N
MW310.71 g/mol
LogP5.21
Rot. Bonds1

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole (PubChem CID 1483806) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole
PubChem CID1483806
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3
InChIKeyDFUZKSKLYCWMQD-UHFFFAOYSA-N
XLogP5.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.71
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole (CID 1483806) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole?
The InChIKey is DFUZKSKLYCWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3.
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole has a molecular weight of 310.71 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1H-indole is sourced from PubChem (CID 1483806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).